Crystallography Open Database

Information card for entry 1573765

Preview

Coordinates	1573765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 N2 O
Calculated formula	C30 H30 N2 O
Title of publication	Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.
Authors of publication	Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	9
Pages of publication	3938 - 3945
a	9.0232 ± 0.0001 Å
b	10.8445 ± 0.0001 Å
c	12.5529 ± 0.0002 Å
α	95.795 ± 0.001°
β	99.084 ± 0.001°
γ	96.98 ± 0.001°
Cell volume	1194.85 ± 0.03 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298153 (current)	2025-03-04	cif/ Updating files of 1573760, 1573761, 1573762, 1573763, 1573764, 1573765 Original log message: Adding full bibliography for 1573760--1573765.cif.	1573765.cif
297440	2025-01-24	cif/ Adding structures of 1573760, 1573761, 1573762, 1573763, 1573764, 1573765 via cif-deposit CGI script.	1573765.cif